CID 624332

5h-benzo[a]phenothiazin-5-one, 6-hydroxy-

Structural Information

Molecular Formula
C16H9NO2S
SMILES
C1=CC=C2C(=C1)C3=C(C(=O)C2=O)SC4=CC=CC=C4N3
InChI
InChI=1S/C16H9NO2S/c18-14-10-6-2-1-5-9(10)13-16(15(14)19)20-12-8-4-3-7-11(12)17-13/h1-8,17H
InChIKey
UEZLQAKVOSNZSN-UHFFFAOYSA-N
Compound name
12H-benzo[a]phenothiazine-5,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

279.0354 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.04268 155.7
[M+Na]+ 302.02462 170.0
[M-H]- 278.02812 161.1
[M+NH4]+ 297.06922 173.9
[M+K]+ 317.99856 162.4
[M+H-H2O]+ 262.03266 148.7
[M+HCOO]- 324.03360 173.0
[M+CH3COO]- 338.04925 169.1
[M+Na-2H]- 300.01007 166.0
[M]+ 279.03485 161.2
[M]- 279.03595 161.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.